[email protected]
CAS 3066-84-0 8-BROMOGUANINE molecular structure lightbox
CAS RN: 3066-84-0

8-BROMOGUANINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250107 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3066-84-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3066-84-0 / 2-amino-8-bromo-1,4-dihydropurin-6-one

Standard CAS: 3066-84-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3066-84-0
Multi CAS
Yes
Molecular Formula
BC5H4ORn5
Molecular Weight
230.020000
Exact Mass
228.959920
InChI
InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChIKey
CRYCZDRIXVHNQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.35
TPSA
92.2

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.91
XLogP3
-0.5
Consensus LogP
-0.82
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us